5-Nitropyridine-3,4-diamine
Basic information
- CAS
4318-68-7- Standard SMILES
Nc1cncc([N+](=O)[O-])c1N- InChIKey
OMUADEPNIQXNRG-UHFFFAOYSA-N- Molecular formula
- C5H6N4O2
- Average molar mass
- 154.13 g/mol
- Monoisotopic mass
- 154.04907545
Names & identifiers
- Preferred name
- 5-Nitropyridine-3,4-diamine
- IUPAC
- 5-nitropyridine-3,4-diamine
- English name
- 3,4-Pyridinediamine, 5-nitro-
- Molecular formula
- C5H6N4O2
- Molecular weight
- 154.13
Names & synonyms
5-nitropyridine-3,4-diamineRefChem:537450858-960-94318-68-73,4-Diamino-5-nitropyridine3,4-Pyridinediamine, 5-nitro-Pyridine, 3,4-diamino-5-nitro-3,4-Pyridinediamine, 5-nitro-BRN 0147640MFCD01099042NSC1148274-22-00-05408 (Beilstein Handbook Reference)
Show more names
NSC 114827(3-amino-5-nitro-4-pyridyl)amine5-Nitropyridine-3,4-diamine (>90%)3,4-Pyridinediamine, 5-nitro- ISO 9001：2015 REACH
5-nitro-3,4-diaminopyridineSCHEMBL67330755-Nitro-3,4-pyridinediamine #DTXSID60195764OMUADEPNIQXNRG-UHFFFAOYSA-NSTK503867AKOS005264390AB08262
Database identifiers
- CAS
4318-68-7- PubChem CID
- 3370517
- DTXSID
DTXSID60195764- EC Number
- 858-960-9
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 173 °C · >173°C (dec.)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- Dark Orange to Very Dark Orange
- Stability
- Hygroscopic
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses5-Nitropyridine-3,4-diamine (cas# 4318-68-7) is a useful reagent for efficient synthesis of 2-Fluoroalkylbenzimidazoles and -benzothiazoles
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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